==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 06-APR-99 1QF3 . COMPND 2 MOLECULE: PROTEIN (PEANUT LECTIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR R.RAVISHANKAR,K.SUGUNA,A.SUROLIA,M.VIJAYAN . 928 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 658 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 402 43.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 127 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 12 0 4 8 4 16 4 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 52 0, 0.0 2,-0.7 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 150.4 18.0 10.9 41.2 2 2 A E E -A 229 0A 14 227,-3.0 227,-2.3 239,-0.1 2,-0.4 -0.915 360.0-178.4-107.5 111.0 20.5 13.8 41.1 3 3 A T E -A 228 0A 32 -2,-0.7 2,-0.5 237,-0.3 237,-0.3 -0.932 16.3-173.7-120.2 133.7 24.0 12.7 40.5 4 4 A V E +A 227 0A 11 223,-1.8 223,-1.8 -2,-0.4 2,-0.3 -0.987 19.0 165.0-120.3 125.6 27.3 14.6 40.3 5 5 A S E +A 226 0A 45 -2,-0.5 2,-0.3 233,-0.3 233,-0.3 -0.992 7.2 161.7-148.1 140.1 30.5 12.6 39.3 6 6 A F E -A 225 0A 23 219,-2.0 219,-2.6 -2,-0.3 2,-0.4 -0.975 18.4-152.2-149.6 160.8 34.0 13.4 38.1 7 7 A N E -A 224 0A 67 -2,-0.3 2,-0.5 229,-0.3 229,-0.3 -0.983 4.7-168.5-143.8 125.8 37.4 11.8 37.9 8 8 A F E +A 223 0A 19 215,-2.8 215,-1.9 -2,-0.4 3,-0.1 -0.920 18.5 163.0-120.4 106.7 40.9 13.4 38.0 9 9 A N S S+ 0 0 94 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.733 83.3 5.7 -87.3 -27.5 43.9 11.2 37.1 10 10 A S S S- 0 0 48 224,-0.2 -1,-0.4 213,-0.1 2,-0.3 -0.977 74.3-135.1-153.8 147.4 45.9 14.4 36.5 11 11 A F - 0 0 7 19,-2.8 2,-0.3 -2,-0.3 224,-0.0 -0.754 16.5-168.0-107.7 154.7 45.3 18.1 37.1 12 12 A S > - 0 0 31 -2,-0.3 3,-1.2 3,-0.0 2,-0.4 -0.998 26.5-116.6-143.1 141.7 46.0 21.0 34.7 13 13 A E T 3 S+ 0 0 131 -2,-0.3 12,-0.0 1,-0.2 -2,-0.0 -0.655 102.5 41.8 -77.0 129.5 46.0 24.7 35.2 14 14 A G T 3 S+ 0 0 38 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.263 75.8 131.1 115.8 -10.0 43.4 26.2 32.9 15 15 A N X - 0 0 12 -3,-1.2 3,-2.0 1,-0.1 -1,-0.3 -0.682 51.2-148.9 -79.3 116.4 40.7 23.6 33.5 16 16 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 269,-0.1 0.605 91.1 70.1 -60.8 -11.3 37.5 25.5 34.3 17 17 A A T 3 S+ 0 0 6 32,-0.1 32,-2.7 266,-0.1 2,-0.4 0.594 92.6 66.9 -84.0 -10.7 36.4 22.6 36.6 18 18 A I E < -H 48 0B 13 -3,-2.0 2,-0.5 30,-0.2 30,-0.2 -0.908 64.1-155.9-118.0 140.5 39.0 23.5 39.2 19 19 A N E -H 47 0B 58 28,-2.8 28,-2.6 -2,-0.4 2,-0.4 -0.965 10.6-159.7-112.3 122.1 39.3 26.5 41.5 20 20 A F E -H 46 0B 70 -2,-0.5 2,-0.4 26,-0.2 26,-0.2 -0.850 10.5-178.4-103.1 135.4 42.8 27.3 42.8 21 21 A Q E -H 45 0B 19 24,-2.8 24,-3.2 -2,-0.4 3,-0.3 -0.999 50.2 -16.0-133.1 131.6 43.1 29.5 45.9 22 22 A G E S-H 44 0B 53 -2,-0.4 22,-0.3 22,-0.2 13,-0.1 -0.475 120.8 -8.0 83.8-149.3 46.4 30.6 47.4 23 23 A D S S+ 0 0 33 20,-3.0 21,-0.2 -2,-0.2 -1,-0.2 0.146 87.4 142.8 -77.4 20.7 49.9 29.1 46.8 24 24 A V - 0 0 21 -3,-0.3 2,-0.3 21,-0.2 10,-0.2 -0.330 25.2-179.1 -64.4 144.2 48.5 26.2 44.8 25 25 A T E -B 33 0A 64 8,-2.3 8,-3.1 10,-0.1 2,-0.7 -0.990 24.9-134.3-146.7 146.5 50.6 25.1 41.8 26 26 A V E -B 32 0A 18 -2,-0.3 6,-0.2 6,-0.2 -13,-0.1 -0.909 25.2-145.1-107.0 110.1 50.3 22.4 39.1 27 27 A L > - 0 0 53 4,-2.1 3,-1.6 -2,-0.7 -16,-0.1 -0.176 26.9-105.7 -67.5 165.6 53.5 20.5 38.5 28 28 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.694 118.6 60.5 -65.8 -20.6 54.5 19.2 35.0 29 29 A N T 3 S- 0 0 99 2,-0.1 -1,-0.3 -19,-0.0 3,-0.1 0.392 121.9-103.5 -87.5 1.9 53.6 15.6 36.0 30 30 A G S < S+ 0 0 10 -3,-1.6 -19,-2.8 1,-0.3 -2,-0.1 0.339 80.4 129.4 94.4 -8.5 49.9 16.7 36.6 31 31 A N - 0 0 12 -21,-0.2 -4,-2.1 -5,-0.1 2,-0.5 -0.381 55.6-128.2 -76.6 162.3 50.1 16.7 40.4 32 32 A I E -BC 26 220A 0 188,-2.1 188,-2.0 -6,-0.2 2,-0.6 -0.923 12.7-157.1-112.1 128.8 49.0 19.6 42.5 33 33 A Q E -BC 25 219A 32 -8,-3.1 -8,-2.3 -2,-0.5 186,-0.2 -0.968 6.6-163.6-105.6 119.4 51.4 21.0 45.0 34 34 A L + 0 0 0 184,-2.4 2,-0.3 -2,-0.6 174,-0.2 0.823 61.8 41.7 -76.4 -35.4 49.4 22.9 47.7 35 35 A T S S- 0 0 5 183,-0.3 2,-0.6 181,-0.1 183,-0.2 -0.772 75.6-118.6-116.4 163.8 51.9 25.0 49.5 36 36 A N > - 0 0 58 -2,-0.3 3,-1.5 1,-0.1 6,-0.2 -0.883 15.5-151.3 -99.2 118.4 54.9 27.2 48.5 37 37 A L T 3 S+ 0 0 41 -2,-0.6 -1,-0.1 1,-0.3 180,-0.0 0.644 93.7 51.6 -62.6 -15.5 58.1 26.0 50.0 38 38 A N T 3 S+ 0 0 141 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.331 93.2 88.5-106.9 8.6 59.6 29.5 50.1 39 39 A K S X S- 0 0 93 -3,-1.5 3,-0.9 -16,-0.0 2,-0.2 -0.875 72.4-124.3-114.1 142.6 56.8 31.4 51.8 40 40 A V T 3 S+ 0 0 79 -2,-0.4 172,-0.2 1,-0.3 171,-0.1 -0.541 97.2 2.3 -77.1 141.5 56.1 32.0 55.5 41 41 A N T 3 S- 0 0 65 -2,-0.2 -1,-0.3 1,-0.1 170,-0.2 0.836 92.3-169.9 47.3 43.0 52.6 30.8 56.6 42 42 A S < - 0 0 3 -3,-0.9 168,-1.9 169,-0.4 61,-0.3 -0.272 8.7-174.0 -62.3 145.8 51.9 29.5 53.2 43 43 A V E + I 0 209B 9 166,-0.2 -20,-3.0 59,-0.1 2,-0.3 -0.986 7.1 175.9-146.3 133.1 48.4 28.3 52.3 44 44 A G E -HI 22 208B 0 164,-2.0 164,-2.1 -2,-0.3 2,-0.3 -0.999 2.3-180.0-141.1 137.7 47.0 26.6 49.2 45 45 A R E -HI 21 207B 3 -24,-3.2 -24,-2.8 -2,-0.3 2,-0.4 -0.994 10.5-163.7-140.4 143.9 43.5 25.2 48.4 46 46 A V E -HI 20 206B 4 160,-2.3 160,-1.9 -2,-0.3 2,-0.3 -0.992 14.3-175.8-128.9 132.8 41.9 23.5 45.5 47 47 A L E -HI 19 205B 2 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.7 -0.910 35.4-108.4-128.6 154.8 38.2 23.2 45.0 48 48 A Y E -H 18 0B 13 156,-2.6 156,-0.3 -2,-0.3 -30,-0.2 -0.781 36.5-137.0 -80.3 116.8 35.8 21.6 42.5 49 49 A A S S+ 0 0 19 -32,-2.7 -1,-0.2 -2,-0.7 -31,-0.1 0.833 80.4 74.2 -42.1 -51.6 34.5 24.6 40.7 50 50 A M S S- 0 0 13 -33,-0.4 154,-0.3 1,-0.1 2,-0.3 -0.472 84.1-124.4 -74.3 132.5 30.8 23.5 40.5 51 51 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.632 24.0-141.2 -76.8 136.3 28.8 23.8 43.8 52 52 A V E -J 202 0B 2 150,-2.7 150,-2.8 -2,-0.3 2,-0.9 -0.824 7.5-132.3 -99.8 138.8 27.2 20.5 44.7 53 53 A R E +J 201 0B 25 -2,-0.4 148,-0.2 148,-0.2 147,-0.1 -0.799 28.1 174.8 -91.2 100.9 23.7 20.4 46.2 54 54 A I + 0 0 4 146,-1.6 9,-2.8 -2,-0.9 2,-0.3 0.560 63.2 14.8 -84.2 -13.7 24.0 18.1 49.3 55 55 A W B -O 62 0C 36 145,-0.9 2,-0.5 7,-0.2 7,-0.2 -0.986 64.8-133.6-159.3 153.6 20.5 18.6 50.6 56 56 A S > - 0 0 7 5,-2.0 4,-2.0 -2,-0.3 5,-0.1 -0.964 3.2-161.6-116.7 127.7 17.0 19.9 49.6 57 57 A S T 4 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.699 95.1 59.2 -73.3 -22.3 14.9 22.1 51.8 58 58 A A T 4 S+ 0 0 89 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.951 124.3 14.5 -70.4 -54.6 11.9 21.1 49.6 59 59 A T T 4 S- 0 0 68 2,-0.1 -2,-0.2 171,-0.1 -1,-0.1 0.867 94.1-129.0 -88.7 -46.1 12.1 17.3 50.3 60 60 A G < + 0 0 22 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.409 57.2 143.4 106.9 2.2 14.4 17.3 53.3 61 61 A N - 0 0 50 169,-0.2 -5,-2.0 -5,-0.1 2,-0.3 -0.425 38.8-150.9 -76.3 149.9 16.7 14.7 51.8 62 62 A V B -O 55 0C 18 -7,-0.2 168,-0.3 -2,-0.1 -7,-0.2 -0.862 22.9-119.2-115.3 147.0 20.5 14.6 52.3 63 63 A A - 0 0 4 -9,-2.8 2,-0.3 -2,-0.3 166,-0.2 -0.430 15.0-135.7 -86.1 164.9 22.7 13.1 49.6 64 64 A S E -D 228 0A 11 164,-2.1 164,-2.3 820,-0.1 2,-0.3 -0.873 24.0-170.4-115.8 149.1 25.2 10.2 49.9 65 65 A F E -DE 227 167A 4 102,-1.3 102,-2.4 -2,-0.3 2,-0.4 -0.991 20.5-162.9-146.5 153.4 28.6 10.3 48.5 66 66 A L E +DE 226 166A 22 160,-2.4 160,-1.4 -2,-0.3 2,-0.3 -0.996 23.3 167.5-132.0 126.0 31.6 8.1 47.8 67 67 A T E -DE 225 165A 1 98,-2.2 98,-2.9 -2,-0.4 2,-0.3 -0.999 12.3-174.6-144.6 141.9 35.0 9.7 47.1 68 68 A S E +DE 224 164A 41 156,-1.7 156,-2.5 -2,-0.3 2,-0.3 -0.997 10.2 164.8-138.6 142.2 38.6 8.5 46.9 69 69 A F E -DE 223 163A 7 94,-1.8 94,-2.3 -2,-0.3 2,-0.4 -0.978 23.3-139.3-151.7 159.0 41.9 10.3 46.5 70 70 A S E +DE 222 162A 12 152,-1.2 151,-2.6 -2,-0.3 152,-1.0 -0.967 22.3 175.8-125.6 141.3 45.6 9.8 46.8 71 71 A F E -DE 220 161A 1 90,-1.9 90,-2.8 -2,-0.4 2,-0.3 -0.888 16.1-149.3-137.7 169.4 48.2 12.2 48.3 72 72 A E E -DE 219 160A 25 147,-1.7 147,-2.9 -2,-0.3 2,-0.4 -0.996 3.7-166.3-143.4 134.5 51.9 12.4 49.1 73 73 A M E -DE 218 159A 3 86,-0.5 85,-2.7 83,-0.4 86,-0.6 -0.973 13.5-173.1-119.8 136.1 53.7 14.4 51.8 74 74 A K E -D 217 0A 100 143,-1.5 143,-2.8 -2,-0.4 2,-0.1 -0.998 22.0-120.4-136.4 136.5 57.5 14.7 51.6 75 75 A D - 0 0 84 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.407 23.3-158.0 -71.0 146.1 60.1 16.1 54.0 76 76 A I > - 0 0 37 139,-0.5 3,-0.6 3,-0.3 139,-0.1 -0.875 35.1 -80.5-120.9 157.0 62.3 19.0 52.9 77 77 A K T 3 S- 0 0 175 -2,-0.3 2,-0.2 1,-0.2 3,-0.1 -0.273 103.1 -2.9 -63.1 138.7 65.7 19.9 54.4 78 78 A D T 3 S+ 0 0 152 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.130 106.7 101.5 71.6 -19.6 65.9 21.9 57.6 79 79 A Y S < S- 0 0 83 -3,-0.6 -3,-0.3 -2,-0.2 135,-0.2 -0.718 77.4-112.7-100.1 149.3 62.2 22.4 58.0 80 80 A D B -p 214 0D 92 133,-2.2 135,-1.9 -2,-0.3 2,-0.9 -0.560 38.6-110.9 -73.4 134.6 59.8 20.5 60.3 81 81 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.617 62.4-172.1 -71.6 106.8 57.4 18.4 58.3 82 82 A A - 0 0 2 -2,-0.9 134,-0.1 2,-0.1 129,-0.1 -0.947 17.5 -5.4-158.1 162.9 54.1 20.3 58.9 83 83 A D - 0 0 5 -2,-0.3 41,-1.5 127,-0.2 42,-0.5 -0.982 65.0-134.5-110.2 -13.8 51.3 21.0 58.9 84 84 A G E -KL 123 209B 0 125,-0.6 125,-0.9 39,-0.2 2,-0.3 -0.697 17.1 -79.9 131.4 176.1 49.1 18.6 57.0 85 85 A I E -KL 122 208B 2 37,-1.4 37,-2.8 -2,-0.2 2,-0.4 -0.836 30.1-162.1-118.1 154.5 46.3 18.2 54.5 86 86 A I E -KL 121 207B 0 121,-1.9 121,-1.7 -2,-0.3 2,-0.6 -0.988 13.1-149.9-143.6 127.9 42.5 18.5 55.0 87 87 A F E +KL 120 206B 3 33,-2.6 33,-2.5 -2,-0.4 2,-0.3 -0.889 38.4 176.7 -91.7 121.6 39.7 17.2 52.8 88 88 A F E -KL 119 205B 1 117,-2.6 117,-1.8 -2,-0.6 2,-0.4 -0.854 34.8-151.2-132.4 167.2 36.8 19.7 53.5 89 89 A I E +KL 118 204B 5 29,-2.7 29,-2.1 -2,-0.3 115,-0.2 -0.998 32.2 158.4-134.6 124.1 33.3 20.7 52.6 90 90 A A E - 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